1-(cyclopentanecarbonyl)-N-[(2R)-1-[3-(2-methylpropylamino)propylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride

C31H45ClN4O3 — CID 157131711

About 1-(cyclopentanecarbonyl)-N-[(2R)-1-[3-(2-methylpropylamino)propylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride

1-(cyclopentanecarbonyl)-N-[(2R)-1-[3-(2-methylpropylamino)propylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 157131711) has the molecular formula C31H45ClN4O3 and a molecular weight of 557.18 g/mol. Its IUPAC name is 1-(cyclopentanecarbonyl)-N-[(2R)-1-[3-(2-methylpropylamino)propylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 1-(cyclopentanecarbonyl)-N-[(2R)-1-[3-(2-methylpropylamino)propylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
• PubChem CID: 157131711
• Molecular Formula: C31H45ClN4O3
• Molecular Weight: 557.18 g/mol
• Exact Mass: 556.32
• IUPAC Name: 1-(cyclopentanecarbonyl)-N-[(2R)-1-[3-(2-methylpropylamino)propylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
• SMILES: CC(C)CNCCCNC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)C1CCCN1C(=O)C1CCCC1.Cl
• InChI: InChI=1S/C31H44N4O3.ClH/c1-22(2)21-32-16-8-17-33-29(36)27(20-23-14-15-24-9-3-6-12-26(24)19-23)34-30(37)28-13-7-18-35(28)31(38)25-10-4-5-11-25;/h3,6,9,12,14-15,19,22,25,27-28,32H,4-5,7-8,10-11,13,16-18,20-21H2,1-2H3,(H,33,36)(H,34,37);1H/t27-,28?;/m1./s1
• InChIKey: FZCDTEFCNPCEOE-RTJZFNRYSA-N
• XLogP: 4.22
• TPSA: 90.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.18
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentanecarbonyl)-N-[(2R)-1-[3-(2-methylpropylamino)propylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride?

The IUPAC name of 1-(cyclopentanecarbonyl)-N-[(2R)-1-[3-(2-methylpropylamino)propylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride (CID 157131711) is 1-(cyclopentanecarbonyl)-N-[(2R)-1-[3-(2-methylpropylamino)propylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride.

What is the SMILES notation for 1-(cyclopentanecarbonyl)-N-[(2R)-1-[3-(2-methylpropylamino)propylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride?

The canonical SMILES for 1-(cyclopentanecarbonyl)-N-[(2R)-1-[3-(2-methylpropylamino)propylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride is CC(C)CNCCCNC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)C1CCCN1C(=O)C1CCCC1.Cl.

What is the InChIKey of 1-(cyclopentanecarbonyl)-N-[(2R)-1-[3-(2-methylpropylamino)propylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride?

The InChIKey is FZCDTEFCNPCEOE-RTJZFNRYSA-N. The full InChI is InChI=1S/C31H44N4O3.ClH/c1-22(2)21-32-16-8-17-33-29(36)27(20-23-14-15-24-9-3-6-12-26(24)19-23)34-30(37)28-13-7-18-35(28)31(38)25-10-4-5-11-25;/h3,6,9,12,14-15,19,22,25,27-28,32H,4-5,7-8,10-11,13,16-18,20-21H2,1-2H3,(H,33,36)(H,34,37);1H/t27-,28?;/m1./s1.

What are the key properties of 1-(cyclopentanecarbonyl)-N-[(2R)-1-[3-(2-methylpropylamino)propylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride?

1-(cyclopentanecarbonyl)-N-[(2R)-1-[3-(2-methylpropylamino)propylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 557.18 g/mol, XLogP of 4.22, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(cyclopentanecarbonyl)-N-[(2R)-1-[3-(2-methylpropylamino)propylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 157131711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).